SCHEMBL4784860

SCHEMBL4784860

O=C(Nc1ccccc1)OC(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KLK7 P49862 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MTOR P42345 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28571893 0.79 KLK7 (0.54) POLBKLK7HSD17B10MEN1MAPT
SCHEMBL11175388 0.79 POLB (0.50) POLBKLK7SMN1; SMN2TSHRTP53
SCHEMBL9055691 0.79 POLB (0.50) POLBKLK7SMN1; SMN2TSHRTP53
SCHEMBL28568899 0.79 KLK7 (0.54) POLBKLK7HSD17B10MEN1MAPT
SCHEMBL28387238 0.77 CYP2D6 (0.44) SMN1; SMN2ALDH1A1KMT2ALMNACYP1A2
SCHEMBL28387237 0.77 CYP2D6 (0.44) SMN1; SMN2ALDH1A1KMT2ALMNACYP1A2
SCHEMBL5696572 0.76 KLK7 (0.51) POLBKLK7SMN1; SMN2TP53HSD17B10
SCHEMBL752740 0.76 MME (0.43) HSD17B10ALDH1A1CASP3MEN1MAPT
Propham SCHEMBL8536412 0.76 SMN1; SMN2 (0.66) KLK7SMN1; SMN2TSHRTP53EPHX1
Propham SCHEMBL67344 0.76 SMN1; SMN2 (0.66) KLK7SMN1; SMN2TSHRTP53EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed